5-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]-2-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 5-[[(4-cyanophenyl)-(1,2,4-triazol-4-yl)amino]methyl]-2-phenylmethoxy-benzenecarbonitrile Openeye Name: 2-benzyloxy-5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile CAS Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-phenylmethoxybenzonitrile IUPAC Name: 5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]-2-phenylmethoxybenzonitrile Traditional Name: 2-benzoxy-5-[[4-cyano-N-(1,2,4-triazol-4-yl)anilino]methyl]benzonitrile Formula: C24H18N6O MolecularWeight: 406.43932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CN(C3=CC=C(C=C3)C#N)N4C=NN=C4)C#N

InChI

InChI=1S/C24H18N6O/c25-13-19-6-9-23(10-7-19)30(29-17-27-28-18-29)15-21-8-11-24(22(12-21)14-26)31-16-20-4-2-1-3-5-20/h1-12,17-18H,15-16H2